CID 12282729

Bis(3,4-dimethylphenyl)methane

Structural Information

Molecular Formula
C17H20
SMILES
CC1=C(C=C(C=C1)CC2=CC(=C(C=C2)C)C)C
InChI
InChI=1S/C17H20/c1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17/h5-10H,11H2,1-4H3
InChIKey
TWNICQBDBDUTPA-UHFFFAOYSA-N
Compound name
4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

574
Patents

224.1565 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.163776 151.0
[M+Na]+ 247.145718 160.3
[M-H]- 223.149224 158.5
[M+NH4]+ 242.190323 170.3
[M+K]+ 263.119658 155.9
[M+H-H2O]+ 207.153760 144.3
[M+HCOO]- 269.154701 174.5
[M+CH3COO]- 283.170351 195.7
[M+Na-2H]- 245.131166 154.9
[M]+ 224.15595142 152.8
[M]- 224.15704858 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe